1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea

C15H20FN5O3 — CID 74250651

IUPAC1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea
SMILESCOCCN(CCOc1ccccc1F)C(=O)Nc1cn(C)nn1
InChIInChI=1S/C15H20FN5O3/c1-20-11-14(18-19-20)17-15(22)21(7-9-23-2)8-10-24-13-6-4-3-5-12(13)16/h3-6,11H,7-10H2,1-2H3,(H,17,22)
InChIKeyGNVUPPRMDKGGJG-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.51
Rot. Bonds8

About 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea

1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea (PubChem CID 74250651) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea
PubChem CID74250651
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea
SMILESCOCCN(CCOc1ccccc1F)C(=O)Nc1cn(C)nn1
InChIInChI=1S/C15H20FN5O3/c1-20-11-14(18-19-20)17-15(22)21(7-9-23-2)8-10-24-13-6-4-3-5-12(13)16/h3-6,11H,7-10H2,1-2H3,(H,17,22)
InChIKeyGNVUPPRMDKGGJG-UHFFFAOYSA-N
XLogP1.51
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372
1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea
CID 72935395
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546
1-(3-amino-3-hydroxyiminopropyl)-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea
CID 76993854
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
CID 46993505
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea (CID 74250651) is 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea is COCCN(CCOc1ccccc1F)C(=O)Nc1cn(C)nn1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea?
The InChIKey is GNVUPPRMDKGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3/c1-20-11-14(18-19-20)17-15(22)21(7-9-23-2)8-10-24-13-6-4-3-5-12(13)16/h3-6,11H,7-10H2,1-2H3,(H,17,22).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea?
1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea has a molecular weight of 337.36 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea is sourced from PubChem (CID 74250651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).